3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)aniline

C20H23F3N2O — CID 143563799

IUPAC3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)aniline
SMILESNc1cc(COCC2(c3ccccc3)CCNCC2)cc(C(F)(F)F)c1
InChIInChI=1S/C20H23F3N2O/c21-20(22,23)17-10-15(11-18(24)12-17)13-26-14-19(6-8-25-9-7-19)16-4-2-1-3-5-16/h1-5,10-12,25H,6-9,13-14,24H2
InChIKeyWABUMWJYTFLIMG-UHFFFAOYSA-N
MW364.41 g/mol
LogP4.13
Rot. Bonds5

About 3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)aniline

3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)aniline (PubChem CID 143563799) has the molecular formula C20H23F3N2O and a molecular weight of 364.41 g/mol. Its IUPAC name is 3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)aniline.

Molecular Properties

Compound Name3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)aniline
PubChem CID143563799
Molecular FormulaC20H23F3N2O
Molecular Weight364.41 g/mol
Exact Mass364.18
IUPAC Name3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)aniline
SMILESNc1cc(COCC2(c3ccccc3)CCNCC2)cc(C(F)(F)F)c1
InChIInChI=1S/C20H23F3N2O/c21-20(22,23)17-10-15(11-18(24)12-17)13-26-14-19(6-8-25-9-7-19)16-4-2-1-3-5-16/h1-5,10-12,25H,6-9,13-14,24H2
InChIKeyWABUMWJYTFLIMG-UHFFFAOYSA-N
XLogP4.13
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4R)-4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-phenylazepane
CID 11654898
4-[[3-(2,6-difluorophenyl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine
CID 24783931
4-[[3-(3,5-dibromophenyl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine
CID 24784705
4-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine
CID 24785977
[3-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]phenyl]methanol
CID 24784708
4-[[3-(3,4-dimethoxyphenyl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine
CID 143563810
2-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine
CID 58993510
4-[[3-[4-(4-methylsulfanylphenyl)phenyl]-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine
CID 24783165
1-[(1-phenylcyclohexyl)methoxymethyl]-3,5-bis(trifluoromethyl)benzene
CID 71583093
N,N'-diamino-N-methyl-3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)benzenecarboximidamide
CID 143563762
4-[[3-(4-methoxy-2,5-dimethylphenyl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine
CID 24784706
4-[[3-(3-ethoxyphenyl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine
CID 58993611

Frequently Asked Questions

What is the IUPAC name of 3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)aniline?
The IUPAC name of 3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)aniline (CID 143563799) is 3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)aniline.
What is the SMILES notation for 3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)aniline?
The canonical SMILES for 3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)aniline is Nc1cc(COCC2(c3ccccc3)CCNCC2)cc(C(F)(F)F)c1.
What is the InChIKey of 3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)aniline?
The InChIKey is WABUMWJYTFLIMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N2O/c21-20(22,23)17-10-15(11-18(24)12-17)13-26-14-19(6-8-25-9-7-19)16-4-2-1-3-5-16/h1-5,10-12,25H,6-9,13-14,24H2.
What are the key properties of 3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)aniline?
3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)aniline has a molecular weight of 364.41 g/mol, XLogP of 4.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)aniline is sourced from PubChem (CID 143563799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).